0874-0576 Screening compound: methyl 4-[(2E)-3-[4-(methoxycarbonyl)phenyl]triaz-2-en-1-yl]benzoate

0874-0576 Screening compound: methyl 4-[(2E)-3-[4-(methoxycarbonyl)phenyl]triaz-2-en-1-yl]benzoate
0874-0576 Screening compound: methyl 4-[(2E)-3-[4-(methoxycarbonyl)phenyl]triaz-2-en-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0874-0576
methyl 4-[(2E)-3-[4-(methoxycarbonyl)phenyl]triaz-2-en-1-yl]benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

0874-0576

Molecular Formula

C16H15N3O4 (C16 H15 N3 O4)

Compound Name

methyl 4-[(2E)-3-[4-(methoxycarbonyl)phenyl]triaz-2-en-1-yl]benzoate

IUPAC name

methyl 4-[(2E)-3-[4-(methoxycarbonyl)phenyl]triaz-2-en-1-yl]benzoate

SMILES

COC(c(cc1)ccc1N/N=N/c(cc1)ccc1C(OC)=O)=O

InChI

InChI=1S/C16H15N3O4/c1-22-15(20)11-3-7-13(8-4-11)17-19-18-14-9-5-12(6-10-14)16(21)23-2/h3-10H,1-2H3,(H,17,18)

InChI Key

DFOAQDYVNHMJTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00398230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.818

Distribution Coefficient, logD

3.818

Water Solubility, LogSw

-4.23

Polar Surface Area

76.075

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0874-0576 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0874-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0874-0576?
Check Price and Availability of 0874-0576, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0874-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0874-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0874-0576
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 0874-0576 available by request